SCHEMBL23150899

SCHEMBL23150899

OC(c1conc1-c1ccc(C(F)(F)F)nc1)c1conc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
BRD4 O60885 1/20 0.37
TRPV3 Q8NET8 6/20 0.37
CHEK1 O14757 1/20 0.37
KCNH2 Q12809 4/20 0.36
PDE10A Q9Y233 1/20 0.36
CASP3 P42574 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
PIK3CA P42336 3/20 0.35
PI4KB Q9UBF8 2/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
MTOR P42345 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21590797 0.77 TRPV3 (0.39) TRPV4TRPV3CHEK1KCNH2CASP3
SCHEMBL21590761 0.76 KCNH2 (0.38) KCNH2CASP3KDM5BPIK3CAPI4KB
SCHEMBL21590874 0.74 CASP3 (0.38) TRPV4TRPV3CHEK1KCNH2CASP3
SCHEMBL21590765 0.70 KDM4E (0.42) CHEK1KCNH2
SCHEMBL24212351 0.66 TRPV4 (0.44) TRPV4TRPV3CHEK1KCNH2PDE10A
SCHEMBL322603 0.64 KIF11 (0.52) TRPV4KCNH2PDE10APIK3CAPI4KB
SCHEMBL20258903 0.64 GABRA1 (0.48) TRPV3KCNH2PIK3CAMTOR
SCHEMBL15756694 0.64 TRPV4 (0.55) TRPV4TRPV3KCNH2PDE10APIK3CA
SCHEMBL12304114 0.64 KDM5B (0.44) TRPV4TRPV3KCNH2PDE10AKDM5B
SCHEMBL31249474 0.64 KDM4E (0.50) TRPV4TRPV3KCNH2PDE10APIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 TRPV4 1040/4885BRD4 853/4885TRPV3 1122/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 TRPV4 1081/4885BRD4 897/4885TRPV3 1203/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.